| | COMPOUND: C10404 | |
Entry |
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Name |
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Formula |
C42H38O20
|
Exact mass |
862.1956
|
Mol weight |
862.7391
|
Structure |
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Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1304 Anthracenes and phenanthrenes
C10404 Sennoside A
Phytochemical compounds [BR:br08003]
Polyketides
Anthraquinones
Anthrone type
C10404 Sennoside A
Glycosides [BR:br08021]
O-glycosides
Anthraquinone glycosides
C10404 Sennoside A
Dietary phytochemicals [br08012.html]
Other phytochemicals
C10404
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Other DBs |
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KCF data |
ATOM 62
1 C1y C 27.7044 -16.3798
2 C1y C 27.6938 -19.6569
3 C8y C 28.8947 -15.6950
4 C8y C 26.5257 -15.6891
5 C8y C 28.8842 -20.3419
6 C8y C 26.5221 -20.3419
7 C8y C 28.9006 -14.3306
8 C8x C 30.0665 -16.3857
9 C8y C 26.5316 -14.3118
10 C8x C 25.3539 -16.3741
11 C8y C 28.8783 -21.7133
12 C8x C 30.0686 -19.6686
13 C8y C 26.5163 -21.7133
14 C8x C 25.3377 -19.6569
15 C5x C 27.7160 -13.6327
16 C8y C 30.0967 -13.6574
17 C8y C 31.3209 -15.7066
18 C8y C 25.3539 -13.6327
19 C8x C 24.1693 -15.6891
20 C5x C 27.6938 -22.3983
21 C8y C 30.0443 -22.4042
22 C8y C 31.2532 -20.3666
23 C8y C 25.3260 -22.3795
24 C8x C 24.1473 -20.3362
25 O5x O 27.7219 -12.2685
26 C8x C 31.2625 -14.3481
27 O1a O 30.1026 -12.2859
28 C6a C 32.4225 -16.4045
29 O2a O 25.3539 -12.2685
30 C8x C 24.1693 -14.3118
31 O5x O 27.6879 -23.7626
32 C8x C 31.2405 -21.7309
33 O1a O 30.0384 -23.7685
34 C6a C 32.4250 -19.6816
35 O2a O 25.3260 -23.7568
36 C8x C 24.1414 -21.7005
37 O6a O 33.6071 -15.7066
38 O6a O 32.4225 -17.5586
39 C1y C 24.1693 -11.5777
40 O6a O 33.6096 -20.3550
41 O6a O 32.4250 -18.5143
42 C1y C 24.1297 -24.4302
43 O2x O 24.1636 -10.2063
44 C1y C 22.9790 -12.2625
45 O2x O 22.9394 -23.7452
46 C1y C 24.1297 -25.7944
47 C1y C 22.9673 -9.5479
48 C1y C 21.7886 -11.5894
49 O1a O 22.9849 -13.6327
50 C1y C 21.7490 -24.4302
51 C1y C 22.9453 -26.4794
52 O1a O 25.3201 -26.4794
53 C1y C 21.7829 -10.2249
54 C1b C 22.9616 -8.1726
55 O1a O 20.6170 -12.2742
56 C1y C 21.7550 -25.8002
57 C1b C 20.5775 -23.7509
58 O1a O 22.9453 -27.8563
59 O1a O 20.5983 -9.5502
60 O1a O 21.7712 -7.4856
61 O1a O 20.5775 -26.4794
62 O1a O 19.3978 -24.4286
BOND 69
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 2
11 5 12 1
12 6 13 2
13 6 14 1
14 7 15 1
15 7 16 1
16 8 17 2
17 9 18 1
18 10 19 2
19 11 20 1
20 11 21 1
21 12 22 2
22 13 23 1
23 14 24 2
24 15 25 2
25 16 26 2
26 16 27 1
27 17 28 1
28 18 29 1
29 18 30 2
30 20 31 2
31 21 32 2
32 21 33 1
33 22 34 1
34 23 35 1
35 23 36 2
36 28 37 1
37 28 38 2
38 39 29 1 #Up
39 34 40 1
40 34 41 2
41 42 35 1 #Up
42 39 43 1
43 39 44 1
44 42 45 1
45 42 46 1
46 43 47 1
47 44 48 1
48 44 49 1 #Down
49 45 50 1
50 46 51 1
51 46 52 1 #Down
52 47 53 1
53 47 54 1 #Up
54 48 55 1 #Up
55 50 56 1
56 50 57 1 #Up
57 51 58 1 #Up
58 53 59 1 #Down
59 54 60 1
60 56 61 1 #Down
61 9 15 1
62 13 20 1
63 17 26 1
64 19 30 1
65 22 32 1
66 24 36 1
67 48 53 1
68 51 56 1
69 57 62 1
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